#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shi n ALA 2 N 0.00 -5.10 0.00 0.00 0.00 -1.26 -1.18 120.51 112.97 1shi n ALA 2 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 53.44 52.28 1shi n ALA 2 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1shi n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1shi n LYS 4 N -1.91 -2.24 -3.20 0.00 5.02 -1.24 -4.84 118.16 109.75 1shi n LYS 4 Ca 0.00 1.68 -0.19 0.00 -2.02 0.00 0.00 58.31 57.78 1shi n LYS 4 Cb 0.00 -1.92 0.01 0.00 -0.02 0.00 0.00 35.03 33.11 1shi n LYS 4 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1shi h ASP 6 N 0.62 0.00 1.60 0.00 5.19 -1.96 -1.52 116.42 120.36 1shi h ASP 6 Ca -0.38 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 1shi h ASP 6 Cb 1.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.79 1shi h ASP 6 CO 0.47 0.00 -0.07 -2.24 -3.12 0.00 0.00 179.24 174.28 1shi h ASP 7 N 0.00 0.00 -0.22 6.45 3.04 -1.94 -3.29 116.42 120.46 1shi h ASP 7 Ca 0.00 -0.01 -0.20 0.00 -3.24 0.00 0.00 57.03 53.58 1shi h ASP 7 Cb 0.30 0.00 -0.26 0.00 -1.04 0.00 0.00 39.33 38.34 1shi h ASP 7 CO 0.00 0.01 -0.81 -0.62 -2.04 0.00 0.00 179.24 175.78 1shi n GLU 8 N -2.55 1.61 0.00 4.15 -0.58 -0.61 -4.94 120.64 117.72 1shi n GLU 8 Ca 0.05 -3.17 0.00 0.00 -0.42 0.00 0.00 57.16 53.62 1shi n GLU 8 Cb 0.47 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 30.02 1shi n GLU 8 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1shi n GLY 9 N -0.52 0.80 2.56 0.62 0.00 -1.00 -4.43 105.19 103.22 1shi n GLY 9 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1shi n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1shi n PRO 10 N 0.00 3.27 -2.70 1.61 -0.04 -1.26 -4.44 135.00 131.44 1shi n PRO 10 Ca 0.00 -2.50 -0.42 0.00 -0.04 0.00 0.00 63.50 60.54 1shi n PRO 10 Cb 0.00 -3.06 -0.03 0.00 -0.04 0.00 0.00 33.50 30.37 1shi n PRO 10 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1shi s ASP 11 N 2.62 6.39 0.05 3.54 1.11 -0.59 -4.82 116.67 124.97 1shi s ASP 11 Ca 0.56 -1.28 0.00 0.00 0.18 0.00 0.00 52.55 52.01 1shi s ASP 11 Cb 0.16 -2.50 0.00 0.00 1.07 0.00 0.00 42.92 41.65 1shi s ASP 11 CO -0.07 -1.47 0.00 -0.38 1.18 0.00 0.00 175.17 174.43 1shi n ILE 12 N 6.27 0.00 -0.02 0.77 2.08 -1.26 -2.05 119.36 125.16 1shi n ILE 12 Ca 0.17 0.00 -0.00 0.00 0.56 0.00 0.00 62.75 63.48 1shi n ILE 12 Cb 0.49 0.00 -0.00 0.00 -0.75 0.00 0.00 39.64 39.38 1shi n ILE 12 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 1shi h ARG 13 N 0.00 0.00 0.00 0.38 2.47 -1.96 -3.50 114.38 111.77 1shi h ARG 13 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1shi h ARG 13 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1shi h ARG 13 CO 0.00 0.00 0.00 -2.37 0.56 0.00 0.00 179.97 178.16 1shi n THR 14 N -2.96 0.00 0.00 2.04 5.66 -0.87 -5.00 114.28 113.15 1shi n THR 14 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1shi n THR 14 Cb 0.03 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.81 1shi n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1shi n ALA 15 N -3.00 0.00 1.68 1.79 0.00 -1.26 -1.55 120.51 118.17 1shi n ALA 15 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1shi n ALA 15 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1shi n ALA 15 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1shi n PRO 16 N -0.68 1.16 -2.58 0.00 -0.04 -1.26 -4.91 135.00 126.69 1shi n PRO 16 Ca 0.00 -0.21 -0.04 0.00 -0.04 0.00 0.00 63.50 63.21 1shi n PRO 16 Cb 0.00 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1shi n PRO 16 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1shi n LEU 17 N -0.28 -6.23 -1.26 1.53 4.32 -1.26 -4.91 117.00 108.91 1shi n LEU 17 Ca 0.02 0.25 0.08 0.00 -0.02 0.00 0.00 56.01 56.34 1shi n LEU 17 Cb 0.09 -2.80 0.28 0.00 -1.62 0.00 0.00 43.42 39.36 1shi n LEU 17 CO 0.01 -1.47 0.73 0.35 -1.22 0.00 0.00 177.39 175.79 1shi n THR 18 N -0.77 1.25 -4.15 -5.08 -2.24 -1.26 -4.84 114.28 97.18 1shi n THR 18 Ca 0.06 -0.90 -0.30 0.00 -2.27 0.00 0.00 64.05 60.65 1shi n THR 18 Cb 0.40 0.16 -0.08 0.00 -2.10 0.00 0.00 70.33 68.71 1shi n THR 18 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1shi s GLY 19 N -0.87 1.87 -0.02 3.38 0.00 -1.26 -4.53 107.32 105.89 1shi s GLY 19 Ca 0.41 -1.17 -0.01 0.00 0.00 0.00 0.00 44.72 43.95 1shi s GLY 19 CO 0.22 -1.15 0.03 -1.59 0.00 0.00 0.00 173.10 170.62 1shi s THR 20 N -1.33 -0.02 0.36 0.90 2.01 -0.36 -3.43 115.64 113.76 1shi s THR 20 Ca 0.25 0.08 -0.28 0.00 0.31 0.00 0.00 61.69 62.05 1shi s THR 20 Cb -0.11 -0.07 -0.10 0.00 0.01 0.00 0.00 72.50 72.23 1shi s THR 20 CO 0.17 0.03 1.29 -0.69 -0.69 0.00 0.00 174.62 174.73 1shi s VAL 21 N 0.40 2.75 -0.42 3.82 1.01 -0.32 -1.60 120.40 126.04 1shi s VAL 21 Ca -0.03 0.72 0.06 0.00 0.00 0.00 0.00 61.98 62.73 1shi s VAL 21 Cb -0.05 -3.45 0.21 0.00 0.00 0.00 0.00 36.38 33.09 1shi s VAL 21 CO -0.01 0.15 0.44 -0.67 0.00 0.00 0.00 175.10 175.01 1shi n ASP 22 N 0.57 0.10 -4.44 3.32 -0.08 -1.07 -4.52 116.55 110.44 1shi n ASP 22 Ca 0.01 -2.59 -0.46 0.00 -1.51 0.00 0.00 54.79 50.24 1shi n ASP 22 Cb 0.43 -0.60 -0.12 0.00 2.34 0.00 0.00 41.12 43.17 1shi n ASP 22 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1shi n LEU 23 N 2.10 0.88 0.00 -2.67 4.32 -1.26 -0.93 117.00 119.44 1shi n LEU 23 Ca 0.26 0.25 0.00 0.00 -0.02 0.00 0.00 56.01 56.49 1shi n LEU 23 Cb 0.49 -1.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.25 1shi n LEU 23 CO 0.14 -0.84 0.00 0.61 -1.22 0.00 0.00 177.39 176.09 1shi n GLY 24 N 6.69 2.81 0.00 -0.72 0.00 -1.26 -5.04 105.19 107.67 1shi n GLY 24 Ca 0.57 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1shi n GLY 24 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1shi n SER 25 N 0.00 0.00 -4.55 1.61 2.88 -0.11 -5.02 113.62 108.43 1shi n SER 25 Ca 0.00 0.00 -0.48 0.00 -1.33 0.00 0.00 58.87 57.06 1shi n SER 25 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1shi n SER 25 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1shi s ASN 27 N 6.89 2.39 -0.07 0.00 0.02 -1.26 -4.70 114.94 118.22 1shi s ASN 27 Ca 1.03 1.22 -0.38 0.00 -1.02 0.00 0.00 52.86 53.71 1shi s ASN 27 Cb -0.65 -1.90 -0.16 0.00 0.02 0.00 0.00 41.25 38.57 1shi s ASN 27 CO 0.45 -3.28 1.56 0.00 0.02 0.00 0.00 177.10 175.85 1shi n ALA 28 N -4.27 -0.34 0.00 0.60 0.00 -1.26 -1.04 120.51 114.19 1shi n ALA 28 Ca 0.05 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1shi n ALA 28 Cb 0.57 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1shi n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1shi n GLY 29 N 3.40 0.95 3.36 0.00 0.00 -1.26 -5.08 105.19 106.55 1shi n GLY 29 Ca 0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 1shi n GLY 29 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1shi s TRP 30 N -2.00 1.69 -0.17 1.61 0.52 -0.21 -2.77 118.94 117.61 1shi s TRP 30 Ca 0.00 -0.76 -0.04 0.00 0.02 0.00 0.00 56.10 55.32 1shi s TRP 30 Cb 0.00 -0.93 0.07 0.00 -1.15 0.00 0.00 33.47 31.47 1shi s TRP 30 CO 0.00 0.16 0.15 -2.00 0.02 0.00 0.00 176.95 175.29 1shi s GLU 31 N -3.76 0.11 0.14 4.98 2.56 -0.53 -4.65 118.70 117.55 1shi s GLU 31 Ca 0.26 0.11 -0.33 0.00 0.00 0.00 0.00 54.97 55.01 1shi s GLU 31 Cb 0.03 -1.40 -0.17 0.00 2.00 0.00 0.00 34.13 34.59 1shi s GLU 31 CO 0.08 -0.63 0.89 1.17 -0.56 0.00 0.00 175.26 176.22 1shi n LYS 32 N 5.30 0.41 0.00 4.30 4.81 -1.26 -1.60 118.16 130.11 1shi n LYS 32 Ca -0.06 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1shi n LYS 32 Cb 0.49 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 34.09 1shi n LYS 32 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1shi s ALA 34 N -0.15 0.23 -0.85 0.00 0.00 -1.13 -3.79 121.76 116.07 1shi s ALA 34 Ca 0.00 0.16 -0.21 0.00 0.00 0.00 0.00 51.96 51.92 1shi s ALA 34 Cb 0.00 -0.66 -0.21 0.00 0.00 0.00 0.00 23.12 22.25 1shi s ALA 34 CO 0.00 -0.54 2.37 0.45 0.00 0.00 0.00 175.76 178.04 1shi n SER 35 N 5.30 0.46 0.00 0.00 2.88 -1.26 -4.29 113.62 116.71 1shi n SER 35 Ca -0.03 -0.73 0.00 0.00 -1.33 0.00 0.00 58.87 56.78 1shi n SER 35 Cb 0.50 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 1shi n SER 35 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1shi n TYR 36 N 12.25 0.00 0.00 0.66 4.19 -1.26 -4.99 117.16 128.01 1shi n TYR 36 Ca 0.56 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.77 1shi n TYR 36 Cb 0.28 0.02 0.00 0.00 0.49 0.00 0.00 39.34 40.12 1shi n TYR 36 CO 0.00 0.00 0.00 0.98 0.91 0.00 0.00 176.86 178.75 1shi n TYR 37 N 4.48 0.00 -3.36 2.98 9.36 -1.23 -1.89 117.16 127.50 1shi n TYR 37 Ca 0.00 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 61.00 1shi n TYR 37 Cb 0.00 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 38.75 1shi n TYR 37 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1shi s THR 38 N 0.00 1.86 -0.71 2.97 -1.32 -0.60 -4.98 115.64 112.86 1shi s THR 38 Ca 0.00 -1.18 0.21 0.00 -1.21 0.00 0.00 61.69 59.50 1shi s THR 38 Cb 0.00 -2.04 0.20 0.00 -1.51 0.00 0.00 72.50 69.15 1shi s THR 38 CO 0.00 0.00 1.63 -0.38 -2.21 0.00 0.00 174.62 173.66 1shi n ILE 39 N -2.11 0.84 -2.71 5.08 2.08 -1.26 -3.32 119.36 117.96 1shi n ILE 39 Ca 0.10 0.20 0.01 0.00 0.56 0.00 0.00 62.75 63.62 1shi n ILE 39 Cb 0.63 -1.04 0.04 0.00 -0.75 0.00 0.00 39.64 38.52 1shi n ILE 39 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1shi n ILE 40 N -1.94 0.81 -3.58 1.39 0.00 -1.26 -5.10 119.36 109.68 1shi n ILE 40 Ca 0.03 -2.22 -0.05 0.00 0.00 0.00 0.00 62.75 60.51 1shi n ILE 40 Cb 0.22 1.19 -0.02 0.00 0.00 0.00 0.00 39.64 41.03 1shi n ILE 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1shi s ALA 41 N -2.42 -2.00 0.18 1.51 0.00 -1.21 -4.77 121.76 113.05 1shi s ALA 41 Ca 0.30 1.26 0.09 0.00 0.00 0.00 0.00 51.96 53.60 1shi s ALA 41 Cb 0.35 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 1shi s ALA 41 CO -0.09 -0.70 -0.18 -0.51 0.00 0.00 0.00 175.76 174.28 1shi s ASP 42 N -2.40 2.76 -0.70 0.00 1.11 -1.26 -1.56 116.67 114.62 1shi s ASP 42 Ca 0.09 -0.88 -0.19 0.00 0.18 0.00 0.00 52.55 51.75 1shi s ASP 42 Cb -0.00 -0.17 0.12 0.00 1.07 0.00 0.00 42.92 43.94 1shi s ASP 42 CO -0.05 -0.03 0.82 0.00 1.18 0.00 0.00 175.17 177.08 1shi s ARG 45 N -1.23 2.63 -0.87 0.00 1.81 -0.63 -1.22 118.95 119.43 1shi s ARG 45 Ca 0.18 -1.30 -0.20 0.00 -1.72 0.00 0.00 55.73 52.69 1shi s ARG 45 Cb -0.12 -3.65 -0.23 0.00 -0.45 0.00 0.00 34.95 30.50 1shi s ARG 45 CO 0.07 -0.81 2.35 1.17 -0.68 0.00 0.00 175.30 177.41 1shi n LYS 46 N 4.88 0.30 -3.66 3.54 4.81 -1.26 -1.45 118.16 125.32 1shi n LYS 46 Ca -0.11 -0.27 -0.20 0.00 -0.87 0.00 0.00 58.31 56.85 1shi n LYS 46 Cb 0.44 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 33.27 1shi n LYS 46 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1shi n LYS 47 N 7.41 -1.47 -0.24 1.64 5.02 -1.11 -4.88 118.16 124.53 1shi n LYS 47 Ca 0.57 0.88 0.00 0.00 -2.02 0.00 0.00 58.31 57.74 1shi n LYS 47 Cb 0.26 -2.99 0.00 0.00 -0.02 0.00 0.00 35.03 32.29 1shi n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51